Li2O E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.20 -0.957125 -1.032031 -1.034062 -1.035645 -1.030561 8.30 -0.963567 -1.038646 -1.040653 -1.042241 -1.037501 8.40 -0.969650 -1.043608 -1.045610 -1.047204 -1.042769 8.50 -0.971484 -1.047084 -1.049116 -1.050697 -1.046535 8.60 -0.974262 -1.049274 -1.051213 -1.052853 -1.048933 8.70 -0.975647 -1.050173 -1.052202 -1.053798 -1.050074 8.80 -0.974884 -1.050065 -1.052068 -1.053645 -1.050110 8.90 -0.972882 -1.049010 -1.050911 -1.052506 -1.049131 Parameters from Murnaghan fit: a_0 (Å) 4.61 4.62 4.62 4.62 4.63 B_0 (GPa) 97 77 79 79 80 Li2O E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.20 -1.070310 -1.146783 -1.148869 -1.150518 -1.130163 8.30 -1.073647 -1.150342 -1.152414 -1.154063 -1.133788 8.40 -1.076855 -1.152364 -1.154451 -1.156091 -1.135874 8.50 -1.075809 -1.153007 -1.155129 -1.156762 -1.136582 8.60 -1.075837 -1.152485 -1.154573 -1.156206 -1.136048 8.70 -1.074598 -1.150763 -1.152911 -1.154545 -1.134377 8.80 -1.071250 -1.148139 -1.150252 -1.151885 -1.131713 8.90 -1.066740 -1.144625 -1.146703 -1.148327 -1.128140 Parameters from Murnaghan fit: a_0 (Å) 4.50 4.50 4.50 4.50 4.50 B_0 (GPa) 101 94 94 94 95